Compound Identification
SMILES
C\C(=C/C=C(\[O-])C(O)=O)C(=O)CC[C@H]1[C@@H]2CCC(=O)[C@@]2(C)CCC1=O
InChIKey
InChIKey=HRJXKKSJPNWKCP-UNXDAHLPSA-M
Formula
C19H23O6
Mass
347.388
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Medium-chain keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain keto acids and derivatives
Alternative Parents
Branched fatty acids Unsaturated fatty acids Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Cyclic ketones Monocarboxylic acids and derivatives Enolates Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Medium-chain keto acid - Branched fatty acid - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Unsaturated fatty acid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Enolate - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic anion - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
CHEBI:63690 : 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate